[gmx-users] Running Gromacs in Clusters

[Erik Marklund]

Hi,

I usually go with openMPI. I think there are issues with LAM, but other probably know more about that.

Erik

7 nov 2012 kl. 19.36 skrev Marcelo Depolo:

> Hi guys.
> 
> 
> I've tried your suggestions and had no sucess. I've got "no resources
> available" error but I checked out and 50% of the nodes are available.
> Perhaps, could be a library problem? Here, I compiled gromacs with MPI-LAM
> 7. Are you using another one?
> 
> Thanks!
> -- 
> Marcelo Depólo
> --
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-----------------------------------------------
Erik Marklund, PhD
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 6688        fax: +46 18 511 755
erikm at xray.bmc.uu.se
http://www2.icm.uu.se/molbio/elflab/index.html